"""proc.py """ import sys sys.path.append("/x/PyMS") from pyms.GCMS.IO.JCAMP.Function import JCAMP_reader from pyms.GCMS.Function import build_intensity_matrix from pyms.Utils.IO import save_data # read the raw data as a GCMS_data object jcamp_file = "/x/PyMS/data/gc01_0812_066.jdx" data = JCAMP_reader(jcamp_file) # IntensityMatrix # must build intensity matrix before accessing any intensity matrix methods. # default, float masses with interval (bin interval) of one from min mass print "default intensity matrix, bin interval = 1, boundary +/- 0.5" im = build_intensity_matrix(data) # # Saving data # # save the intensity matrix values to a file mat = im.get_matrix_list() print "saving intensity matrix intensity values..." save_data("output/im.dat", mat) # Export the entire IntensityMatrix as CSV. This will create